N'-methanimidoyl-3,4-dimethylfuran-2-carboximidamide

C8H11N3O — CID 90392538

IUPACN'-methanimidoyl-3,4-dimethylfuran-2-carboximidamide
SMILES[H]/N=C/N=C(\N)c1occ(C)c1C
InChIInChI=1S/C8H11N3O/c1-5-3-12-7(6(5)2)8(10)11-4-9/h3-4H,1-2H3,(H3,9,10,11)
InChIKeyJJYPTIKOHKQUJF-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.21
Rot. Bonds2

About N'-methanimidoyl-3,4-dimethylfuran-2-carboximidamide

N'-methanimidoyl-3,4-dimethylfuran-2-carboximidamide (PubChem CID 90392538) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is N'-methanimidoyl-3,4-dimethylfuran-2-carboximidamide.

Molecular Properties

Compound NameN'-methanimidoyl-3,4-dimethylfuran-2-carboximidamide
PubChem CID90392538
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN'-methanimidoyl-3,4-dimethylfuran-2-carboximidamide
SMILES[H]/N=C/N=C(\N)c1occ(C)c1C
InChIInChI=1S/C8H11N3O/c1-5-3-12-7(6(5)2)8(10)11-4-9/h3-4H,1-2H3,(H3,9,10,11)
InChIKeyJJYPTIKOHKQUJF-UHFFFAOYSA-N
XLogP1.21
TPSA75.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-methanimidoyl-3,4-dimethylfuran-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-methanimidoyl-3,4-dimethylfuran-2-carboximidamide?
The IUPAC name of N'-methanimidoyl-3,4-dimethylfuran-2-carboximidamide (CID 90392538) is N'-methanimidoyl-3,4-dimethylfuran-2-carboximidamide.
What is the SMILES notation for N'-methanimidoyl-3,4-dimethylfuran-2-carboximidamide?
The canonical SMILES for N'-methanimidoyl-3,4-dimethylfuran-2-carboximidamide is [H]/N=C/N=C(\N)c1occ(C)c1C.
What is the InChIKey of N'-methanimidoyl-3,4-dimethylfuran-2-carboximidamide?
The InChIKey is JJYPTIKOHKQUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5-3-12-7(6(5)2)8(10)11-4-9/h3-4H,1-2H3,(H3,9,10,11).
What are the key properties of N'-methanimidoyl-3,4-dimethylfuran-2-carboximidamide?
N'-methanimidoyl-3,4-dimethylfuran-2-carboximidamide has a molecular weight of 165.20 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methanimidoyl-3,4-dimethylfuran-2-carboximidamide is sourced from PubChem (CID 90392538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).